N-(1-adamantyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H28N4OS/c1-2-8-27-21(19-6-4-3-5-7-19)25-26-22(27)29-15-20(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-7,16-18H,1,8-15H2,(H,24,28)